(3S)-N-phenyl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-N-phenyl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-phenyl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-phenyl-1-[[4-(2-pyrimidinyloxy)phenyl]methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-phenyl-1-[(4-pyrimidin-2-yloxyphenyl)methyl]piperidin-1-ium-3-amine Traditional Name: phenyl-[(3S)-1-[4-(2-pyrimidyloxy)benzyl]piperidin-1-ium-3-yl]amine Formula: C22H25N4O+ MolecularWeight: 361.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=C(C=C2)OC3=NC=CC=N3)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=C(C=C2)OC3=NC=CC=N3)NC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O/c1-2-6-19(7-3-1)25-20-8-4-15-26(17-20)16-18-9-11-21(12-10-18)27-22-23-13-5-14-24-22/h1-3,5-7,9-14,20,25H,4,8,15-17H2/p+1/t20-/m0/s1